README

Code to compute the dynamical matrix based on dump info.

Usage:
   d2p  control-file   dump-file

The control file defines some parameters needed by the code,
and should be written in the format of:
  para-name    value(s)

Any unknown line is skipped. The available para-names are:
1) units value
   defines the unit system used, can take any value that LAMMPS allows;
   by default, value = lj.
2) sysdim value
   defines the dimension of the lattice; by default, value = 3.
3) temperature value
   defines the temperature at which MD is carried out; in temperature unit.
   Must be provided.
4) mass type value
   defines the mass for each type, with a syntax of:
      mass type number
   in mass unit. Must be provided.
5) mapfile value
   defines the file that carries the mapping info; by default, value = map.in.
6) prefix value
   defines the prefix of all output files, by default: value = phonon.
7) nskip value
   defines the number of frames to be skipped, by default: value = 0.

One or more LAMMPS atom dump files can be supplied.

The generated binary file is the same as that by fix-phonon in LAMMPS,
one can analyze it use the ``phana'' code.


FFTW3 is required by this code.